Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate
TL;DR: Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate (CAS 66552-43-0) is a chemical compound with molecular formula C8H13ClN2O4 and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate
Also Known As: Ethyl (3E)-3-(Acetylhydrazono)-2-chlorobutanoate, ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate, methyl 2-(2-chloro-3-ethoxy-1-methyl-3-oxopropylidene)hydrazine-1-carboxylate
| Molecular Formula | C8H13ClN2O4 |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 0.8888 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.05638 |
| Heavy Atoms | 15 |
| Complexity | 267.36728 |
Chemical Identifiers
| CAS Number | 66552-43-0 |
|---|---|
| SMILES | CCOC(=O)C(C(=NNC(=O)OC)C)Cl |
Product Overview
Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate (CAS 66552-43-0), with molecular formula C8H13ClN2O4 and molecular weight 236.06 g/mol. IUPAC: ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate.
Chemical Property Profile of Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate
Property Insights of Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate
The XLogP value of 0.8888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate. Following Lipinski's Rule of Five, Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate?
The CAS number of Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate is 66552-43-0.
What is the molecular formula of Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate?
The molecular formula of Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate is C8H13ClN2O4.
What is the molecular weight of Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate?
The molecular weight of Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate is 236.06 g/mol.
Where can I buy Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate?
You can request a quote for Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.